2-[1-(2-methylphenyl)ethylamino]-5-morpholin-4-ylsulfonyl-benzoic acid

Systemtic Name: 2-[1-(2-methylphenyl)ethylamino]-5-morpholin-4-ylsulfonyl-benzoic acid Openeye Name: 5-morpholinosulfonyl-2-[1-(o-tolyl)ethylamino]benzoic acid CAS Name: 2-[1-(2-methylphenyl)ethylamino]-5-(4-morpholinylsulfonyl)benzoic acid IUPAC Name: 2-[1-(2-methylphenyl)ethylamino]-5-morpholin-4-ylsulfonylbenzoic acid Traditional Name: 5-morpholinosulfonyl-2-[1-(o-tolyl)ethylamino]benzoic acid Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C)NC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(C)NC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)O

InChI

InChI=1S/C20H24N2O5S/c1-14-5-3-4-6-17(14)15(2)21-19-8-7-16(13-18(19)20(23)24)28(25,26)22-9-11-27-12-10-22/h3-8,13,15,21H,9-12H2,1-2H3,(H,23,24)